Geometry & MOs

Info

ID:	196986
PubChem CID:	78905567
Reduced:	ClN2O3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	341.065654
ΔH_f, kcal/mol:	-130.27
Dipole, Da:	4.94
IP(EA), eV:	-9.46(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-cyclopropyl-1,3-thiazol-4-yl)methylidene]-3-(2-methylphenyl)-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=N1)C(=O)NC(C)CO)Cl

DOS

IR

Vibrations